10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene

C19H28N2 — CID 19879809

IUPAC10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
SMILESCCC1C2NC3=CC4=C(CC3C2C)CC1(CC)C/N=C\C4
InChIInChI=1S/C19H28N2/c1-4-16-18-12(3)15-8-14-10-19(16,5-2)11-20-7-6-13(14)9-17(15)21-18/h7,9,12,15-16,18,21H,4-6,8,10-11H2,1-3H3/b20-7-
InChIKeyLDULDDYMZUDDOI-SCDVKCJHSA-N
MW284.45 g/mol
LogP4.10
Rot. Bonds2

About 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene

10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene (PubChem CID 19879809) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene.

Molecular Properties

Compound Name10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
PubChem CID19879809
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
SMILESCCC1C2NC3=CC4=C(CC3C2C)CC1(CC)C/N=C\C4
InChIInChI=1S/C19H28N2/c1-4-16-18-12(3)15-8-14-10-19(16,5-2)11-20-7-6-13(14)9-17(15)21-18/h7,9,12,15-16,18,21H,4-6,8,10-11H2,1-3H3/b20-7-
InChIKeyLDULDDYMZUDDOI-SCDVKCJHSA-N
XLogP4.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
CID 19879740
(5E)-6-chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879743
(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879752
10,15,16-Trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
CID 19879772
15-Methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
CID 19879776
8-Ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene
CID 19879777
10,15,16-Trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12)-diene
CID 19879790
10,15,16-Trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene
CID 23049988
10,16-Diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene
CID 67897079
15-Methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene
CID 67897086
10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene
CID 67897279
10-Chloro-6,12-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-9H-pyrrolo-[3,2-h][3]benzazocine
CID 73656239

Frequently Asked Questions

What is the IUPAC name of 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The IUPAC name of 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene (CID 19879809) is 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene.
What is the SMILES notation for 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The canonical SMILES for 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene is CCC1C2NC3=CC4=C(CC3C2C)CC1(CC)C/N=C\C4.
What is the InChIKey of 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The InChIKey is LDULDDYMZUDDOI-SCDVKCJHSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-16-18-12(3)15-8-14-10-19(16,5-2)11-20-7-6-13(14)9-17(15)21-18/h7,9,12,15-16,18,21H,4-6,8,10-11H2,1-3H3/b20-7-.
What are the key properties of 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene has a molecular weight of 284.45 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene is sourced from PubChem (CID 19879809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).